UCSF

ZINC20095766

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 5.16 -49.06 3 3 1 46 274.315 3
Mid Mid (pH 6-8) 3.17 4.02 -9.16 2 3 0 41 273.307 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )